Molecule

ID:117046

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₂S
Molecular Mass
174.26056
Exact Mass
174.07145069
Charge
0
InChI
InChI=1S/C8H14O2S/c1-7(2)9-3-8(4-10-7)5-11-6-8/h3-6H2,1-2H3
InChIKey
WLQJZDNKAAMIBA-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OCC2(CO1)CSC2
Isomeric Smiles
C1(OCC2(CO1)CSC2)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0170158
LogD (pH = 7.4)
1.0170158
Log P
1.0170158
Molar Refractivity
46.4022
Polarizability
18.464031
Polar Surface Area
18.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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